RIFAMYCIN SODIUM

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 32086GS35Z

Structure
InChI Key YVOFSHPIJOYKSH-NLYBMVFSSA-M
Smile CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]
InChI
InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/q;+1/p-1/b11-10+,14-13+,17-12-;/t16-,18+,19+,20+,25-,29-,30+,33+,37-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H46NNaO12
Molecular Weight 719.76
AlogP 4.75
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 201.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 50.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA-directed RNA polymerase inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diarrhea 4 D003967 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105680
EPA CompTox DTXSID0040208
FDA SRS 32086GS35Z
PubChem 23702994
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